(4S)-4-azanyl-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S,2S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[(2S)-2-[[[(2S)-4-amino-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S,2S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C50H81N11O13 MolecularWeight: 1044.24404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C50H81N11O13/c1-8-28(5)40(59-46(69)34(24-27(3)4)56-43(66)32(52)20-21-39(63)64)48(71)54-30(7)42(65)55-33(18-13-14-22-51)44(67)60-41(29(6)9-2)49(72)61-23-15-19-37(61)47(70)57-35(26-38(53)62)45(68)58-36(50(73)74)25-31-16-11-10-12-17-31/h10-12,16-17,27-30,32-37,40-41H,8-9,13-15,18-26,51-52H2,1-7H3,(H2,53,62)(H,54,71)(H,55,65)(H,56,66)(H,57,70)(H,58,68)(H,59,69)(H,60,67)(H,63,64)(H,73,74)/t28-,29-,30-,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1