(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethyl]amino]pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethyl]amino]pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[2-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[2-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-keto-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C56H80N12O18 MolecularWeight: 1209.304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C56H80N12O18/c1-29(2)25-38(65-52(81)39(26-32-12-14-33(69)15-13-32)66-51(80)37(19-23-46(75)76)62-48(77)34(57)16-22-45(73)74)53(82)67-47(30(3)4)55(84)68-24-8-11-41(68)54(83)64-36(18-21-43(59)71)50(79)63-35(17-20-42(58)70)49(78)60-28-44(72)61-40(56(85)86)27-31-9-6-5-7-10-31/h5-7,9-10,12-15,29-30,34-41,47,69H,8,11,16-28,57H2,1-4H3,(H2,58,70)(H2,59,71)(H,60,78)(H,61,72)(H,62,77)(H,63,79)(H,64,83)(H,65,81)(H,66,80)(H,67,82)(H,73,74)(H,75,76)(H,85,86)/t34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1