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(2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]succinamide

(2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]succinamide

CAS: 145854-61-1

Formula: C70H132N20O15

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O

IUPAC: (2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide

InChI: InChI=1S/C70H132N20O15/c1-15-41(10)56(76)70(105)90-54(36-55(75)91)69(104)89-52(34-39(6)7)67(102)85-47(25-17-21-29-72)63(98)80-44(13)59(94)82-46(24-16-20-28-71)62(97)79-42(11)58(93)78-43(12)61(96)87-51(33-38(4)5)66(101)81-45(14)60(95)83-48(26-18-22-30-73)6

Composition: C (56.28%), H (8.91%), N (18.75%), O (16.06%)

Molar Mass: 1493.951

Atom Count: 237

Heavy Atom Count: 105

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 15
Exact Mass 1493.01810363
Formal Charge 0
FSP3 0.79
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 20
InChIKey TUCDQOGRFHOSKG-ZWFWRLIFSA-N
Lipinski's Rule of Five
Molar Refractivity 392.58
Topological Polar Surface Area 594.58
Polarizability 155.65
Ring Count 0
Rotatable Bond Count 55

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Purity LeadTime CAS PacketSize UnitPrice
96% <7 Days 145854-61-1 $51.75-$142.83$51.75$142.83
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