{4-[(2S)-2-[(2R)-2-(3-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}propanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

{4-[(2S)-2-[(2R)-2-(3-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}propanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

Formula: C41H53N7O12

SMILES: CC(C)[C@@H](NC(=O)CCOCCNC(=O)OCC1C2CCC#CCCC12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: {4-[(2S)-2-[(2R)-2-[3-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)propanamido]-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate

InChI: InChI=1S/C41H53N7O12/c1-26(2)36(47-35(49)19-22-57-23-21-44-40(53)58-25-33-31-8-5-3-4-6-9-32(31)33)38(51)46-34(10-7-20-43-39(42)52)37(50)45-28-13-11-27(12-14-28)24-59-41(54)60-30-17-15-29(16-18-30)48(55)56/h11-18,26,31-34,36H,5-10,19-25H2,1-2H3,(H,44,53)(H

Composition: C (58.91%), H (6.39%), N (11.73%), O (22.97%)

Molar Mass: 835.912

Atom Count: 113

Heavy Atom Count: 60

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	835.375220175
Formal Charge	0
FSP3	0.51
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
InChIKey	AGARCEMRBHGQGE-RNEZIJNASA-N
Lipinski's Rule of Five
Molar Refractivity	216.2
Topological Polar Surface Area	268.65
Polarizability	82.84
Ring Count	4
Rotatable Bond Count	25

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C41H53N7O12		$926.10-$3,024.00$926.10$1,701.00$3,024.00