(4S)-5-[[(2S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-azanyl-6-(2-azanylethylamino)hexanoyl]amino]-4-methyl-pentanoyl]-5-methanoyl-2H-pyrrol-5-yl]-2-oxidanylidene-ethyl]carbamoyl]pyrrol-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2-azanylethanoylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-azanyl-6-(2-azanylethylamino)hexanoyl]amino]-4-methyl-pentanoyl]-5-methanoyl-2H-pyrrol-5-yl]-2-oxidanylidene-ethyl]carbamoyl]pyrrol-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2-azanylethanoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(2-aminoacetyl)amino]-5-[[(1S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)hexanoyl]amino]-4-methyl-pentanoyl]-5-formyl-2H-pyrrol-5-yl]-2-oxo-ethyl]carbamoyl]pyrrole-1-carbonyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[2-[[[2-[(5S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)-1-oxohexyl]amino]-4-methyl-1-oxopentyl]-5-formyl-2H-pyrrol-5-yl]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolyl]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-1-oxoethyl)amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[2-[[2-[(5S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)hexanoyl]amino]-4-methylpentanoyl]-5-formyl-2H-pyrrol-5-yl]-2-oxoethyl]carbamoyl]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-amino-6-(2-aminoethylamino)hexanoyl]amino]-4-methyl-pentanoyl]-2-formyl-3-pyrrolin-2-yl]-2-keto-ethyl]carbamoyl]pyrrole-1-carbonyl]-3-methyl-butyl]amino]-4-(glycylamino)-5-keto-valeric acid Formula: C39H62N10O10 MolecularWeight: 830.97058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC=CC1(C=O)C(=O)CNC(=O)C2=CC=CN2C(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)CN)NC(=O)C(CCCCNCCN)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CC=C[C@]1(C=O)C(=O)CNC(=O)C2=CC=CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)NC(=O)[C@H](CCCCNCCN)N

InChI

InChI=1S/C39H62N10O10/c1-24(2)19-28(47-35(56)27(11-12-33(53)54)45-32(52)21-41)37(58)48-17-7-10-30(48)36(57)44-22-31(51)39(23-50)13-8-18-49(39)38(59)29(20-25(3)4)46-34(55)26(42)9-5-6-15-43-16-14-40/h7-8,10,13,17,23-29,43H,5-6,9,11-12,14-16,18-22,40-42H2,1-4H3,(H,44,57)(H,45,52)(H,46,55)(H,47,56)(H,53,54)/t26-,27-,28-,29-,39-/m0/s1