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2-{2-[2-(2-{[1-(1-{2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido)propanamido]-5-carbamimidamidopentanamido}-3-methylpentanoic acid

2-{2-[2-(2-{[1-(1-{2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido)propanamido]-5-carbamimidamidopentanamido}-3-methylpentanoic acid

Formula: C47H74N16O10

SMILES: CCC(C)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(N)CC1=CNC2=CC=CC=C12)C(O)=O

IUPAC: 2-{2-[2-(2-{[1-(1-{2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoyl}pyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido)propanamido]-5-carbamimidamidopentanamido}-3-methylpentanoic acid

InChI: InChI=1/C47H74N16O10/c1-4-25(2)37(45(72)73)61-41(68)32(14-8-20-55-47(52)53)58-38(65)26(3)57-40(67)31(13-7-19-54-46(50)51)59-42(69)34-15-9-21-62(34)44(71)35-16-10-22-63(35)43(70)33(17-18-36(49)64)60-39(66)29(48)23-27-24-56-30-12-6-5-11-28(27)30/h5-6,11-12,

Composition: C (55.17%), H (7.29%), N (21.90%), O (15.64%)

Molar Mass: 1023.211

Atom Count: 147

Heavy Atom Count: 73

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 9
Exact Mass 1022.577382647
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 17
Hydrogen Bond Donor Count 15
InChIKey OVXIMRGEBNSORH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 285.72
Topological Polar Surface Area 432.12
Polarizability 103.81
Ring Count 4
Rotatable Bond Count 28

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Purity LeadTime Formula UnitPrice
98% <10 Days C47H74N16O10 Quote Only