(4R)-4-[[(6R,8aR)-6-[[(2R)-2-[[(2R)-2,5-bis(azanyl)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]carbonylamino]-5-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(6R,8aR)-6-[[(2R)-2-[[(2R)-2,5-bis(azanyl)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]carbonylamino]-5-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(6R,8aR)-6-[[(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-5-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4R)-4-[[[(6R,8aR)-6-[[(2R)-2-[[(2R)-2,5-diamino-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-oxomethyl]amino]-5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(6R,8aR)-6-[[(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4R)-4-[[(6R,8aR)-6-[[(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-indolizidine-3-carbonyl]amino]-5-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C34H52N8O9 MolecularWeight: 716.82488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C1CCC2N1C(=O)C(CC2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N)NC(=O)[C@@H](CCC(=O)O)NC(=O)C1CC[C@@H]2N1C(=O)[C@@H](CC2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H](CCCN)N

InChI

InChI=1S/C34H52N8O9/c1-18(2)16-25(29(37)46)40-31(48)23(12-14-28(44)45)38-33(50)27-13-8-20-7-11-24(34(51)42(20)27)39-32(49)26(17-19-5-9-21(43)10-6-19)41-30(47)22(36)4-3-15-35/h5-6,9-10,18,20,22-27,43H,3-4,7-8,11-17,35-36H2,1-2H3,(H2,37,46)(H,38,50)(H,39,49)(H,40,48)(H,41,47)(H,44,45)/t20-,22-,23-,24-,25-,26-,27?/m1/s1