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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-4-guanidino-1-[[2-[[(1S)-4-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-5-(diaminomethylideneamino)-1-[[2-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[2-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-4-guanidino-1-[[2-[[(1S)-4-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-2-keto-ethyl]carbamoyl]butyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C50H72N12O16 MolecularWeight: 1097.17748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C50H72N12O16/c1-26(2)22-35(46(74)61-37(49(77)78)24-29-10-14-31(64)15-11-29)60-44(72)34(17-19-41(68)69)57-39(65)25-55-43(71)33(6-4-20-54-50(52)53)58-47(75)38-7-5-21-62(38)48(76)27(3)56-45(73)36(23-28-8-12-30(63)13-9-28)59-42(70)32(51)16-18-40(66)67/h8-15,26-27,32-38,63-64H,4-7,16-25,51H2,1-3H3,(H,55,71)(H,56,73)(H,57,65)(H,58,75)(H,59,70)(H,60,72)(H,61,74)(H,66,67)(H,68,69)(H,77,78)(H4,52,53,54)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1