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

Systemtic Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-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]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(1S)-4-guanidino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-5-[[(1S)-4-guanidino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pyrrolidine-1-carbonyl]butyl]amino]-5-keto-valeric acid Formula: C48H76N12O14 MolecularWeight: 1045.18904

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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(CO)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N

InChI

InChI=1S/C48H76N12O14/c1-25(2)21-32(41(67)57-34(47(73)74)23-28-12-14-29(62)15-13-28)55-42(68)35(24-61)58-44(70)37-11-7-19-59(37)45(71)31(9-6-18-52-48(50)51)54-40(66)30(16-17-38(63)64)53-43(69)36-10-8-20-60(36)46(72)33(22-26(3)4)56-39(65)27(5)49/h12-15,25-27,30-37,61-62H,6-11,16-24,49H2,1-5H3,(H,53,69)(H,54,66)(H,55,68)(H,56,65)(H,57,67)(H,58,70)(H,63,64)(H,73,74)(H4,50,51,52)/t27-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1