(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2R)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pyrrolidino]-1-benzyl-2-keto-ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C59H80N14O13 MolecularWeight: 1193.3525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)C6CCC(=O)N6

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C59H80N14O13/c1-34(2)28-41(51(79)66-40(16-9-25-63-59(61)62)57(85)72-26-10-17-46(72)55(83)64-32-48(60)76)67-52(80)42(29-35-12-5-3-6-13-35)68-53(81)43(30-37-19-21-38(75)22-20-37)69-54(82)45(33-74)71-56(84)47-18-11-27-73(47)58(86)44(31-36-14-7-4-8-15-36)70-50(78)39-23-24-49(77)65-39/h3-8,12-15,19-22,34,39-47,74-75H,9-11,16-18,23-33H2,1-2H3,(H2,60,76)(H,64,83)(H,65,77)(H,66,79)(H,67,80)(H,68,81)(H,69,82)(H,70,78)(H,71,84)(H4,61,62,63)/t39-,40-,41-,42+,43-,44+,45-,46-,47-/m0/s1